From 4dd94ce0e147043d27361e5b086e374c09f16ff2 Mon Sep 17 00:00:00 2001 From: Valerio Mariani <valerio.mariani@unibas.ch> Date: Wed, 21 Dec 2011 11:04:12 +0100 Subject: [PATCH] Fixed bug with assignment of unknown atoms introduced by me --- modules/conop/src/heuristic_builder.cc | 19 ++++++++++--------- 1 file changed, 10 insertions(+), 9 deletions(-) diff --git a/modules/conop/src/heuristic_builder.cc b/modules/conop/src/heuristic_builder.cc index d0a82e660..458370078 100644 --- a/modules/conop/src/heuristic_builder.cc +++ b/modules/conop/src/heuristic_builder.cc @@ -227,19 +227,20 @@ void HeuristicBuilder::ConnectivityFromAtomNames(const mol::ResidueHandle& res, editor.Connect(*it2,*it1); } else { if(this->IsBondFeasible(*it2, *it1)) { - LOG_TRACE( "found (reversed)"); + LOG_TRACE( "found (reversed)"); editor.Connect(*it2,*it1); - } else { - LOG_TRACE( "not found"); - } - } + } + } } else { - unknown_atoms.push_back(*it1); - } + LOG_TRACE( "not found"); + } } - } + } else { + unknown_atoms.push_back(*it1); + LOG_TRACE( "atom not found, pushing it to unknown atoms"); + } } -} +} void HeuristicBuilder::ConnectAtomsOfResidue(mol::ResidueHandle res) { -- GitLab